⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11420168 | 1.00 | — | — | |
| SCHEMBL11422571 | 1.00 | — | — | |
| SCHEMBL11427602 | 0.79 | — | — | |
| SCHEMBL11427599 | 0.79 | — | — | |
| SCHEMBL11418853 | 0.79 | — | — | |
| SCHEMBL11516861 | 0.74 | — | — | |
| SCHEMBL6267911 | 0.71 | MYC (0.30) | — | |
| SCHEMBL6267910 | 0.71 | MYC (0.30) | — | |
| SCHEMBL6266066 | 0.71 | MYC (0.30) | — | |
| SCHEMBL6266071 | 0.71 | MYC (0.30) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4238623-A | 5,6-Benzo analogues of prostaglandin | MILES LABORATORIES, INC. (US) | 1980-12-09 | — | — | US | disclosed |
| US-4100352-A | Cyclohexanone-5,6-benzo analogues of prostaglandin | MILES LABORATORIES, INC. (US) | 1978-07-11 | — | — | US | disclosed |
| US-4100353-A | 5,6-Benza analogues of prostaglandin F | MILES LABORATORIES, INC. (US) | 1978-07-11 | — | — | US | disclosed |
| US-4097516-A | 5,6-Benzo analogues of prostaglandin E | MILES LABORATORIES, INC. (US) | 1978-06-27 | — | — | US | disclosed |
| US-4096336-A | OXYTOCICS, ANTIULCER, BRONCHODILATION, ANTICOAGULANT, HYPOTENSIVE | MILES LABORATORIES, INC. (US) | 1978-06-20 | — | — | US | disclosed |